SCHEMBL6009325

SCHEMBL6009325

COC(=O)[C@]1(C)CCC[C@@]2(C)C3=CC[C@](C)(C=O)C[C@@H]3CC[C@H]12

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 11/20 0.66
▸ NR1H3 Q13133 2/20 0.65
▸ PTPN1 P18031 1/20 0.65
▸ POLA1 P09884 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14185442 1.00 PTGS1 (0.66) PTGS1NR1H3PTPN1POLA1
SCHEMBL14286808 0.92 PTGS1 (0.78) PTGS1NR1H3PTPN1
SCHEMBL12450155 0.92 PTGS1 (0.78) PTGS1NR1H3PTPN1
SCHEMBL267279 0.92 PTGS1 (0.78) PTGS1NR1H3PTPN1
SCHEMBL280111 0.85 PTGS1 (0.55) PTGS1NR1H3PTPN1POLA1
SCHEMBL12704605 0.85 PTGS1 (0.55) PTGS1NR1H3PTPN1POLA1
SCHEMBL12704610 0.83 PTGS1 (0.64) PTGS1NR1H3PTPN1
SCHEMBL280043 0.83 PTGS1 (0.64) PTGS1NR1H3PTPN1
SCHEMBL280494 0.83 PTGS1 (0.64) PTGS1NR1H3PTPN1
SCHEMBL280487 0.83 PTGS1 (0.64) PTGS1NR1H3PTPN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912932-B1 INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-A MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS NEREUS PHARMACEUTICALS INC (US) 2012-05-02 — — EP disclosed
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